N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide

C14H24N4O2S2 — CID 119115386

IUPACN,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC2=NCCCN2)s1
InChIInChI=1S/C14H24N4O2S2/c1-3-18(4-2)22(19,20)13-7-6-12(21-13)8-11-17-14-15-9-5-10-16-14/h6-7H,3-5,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyURKNEWVSTKQJRY-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.26
Rot. Bonds7

About N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide

N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 119115386) has the molecular formula C14H24N4O2S2 and a molecular weight of 344.51 g/mol. Its IUPAC name is N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide
PubChem CID119115386
Molecular FormulaC14H24N4O2S2
Molecular Weight344.51 g/mol
Exact Mass344.13
IUPAC NameN,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC2=NCCCN2)s1
InChIInChI=1S/C14H24N4O2S2/c1-3-18(4-2)22(19,20)13-7-6-12(21-13)8-11-17-14-15-9-5-10-16-14/h6-7H,3-5,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyURKNEWVSTKQJRY-UHFFFAOYSA-N
XLogP1.26
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide (CID 119115386) is N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCNC2=NCCCN2)s1.
What is the InChIKey of N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is URKNEWVSTKQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S2/c1-3-18(4-2)22(19,20)13-7-6-12(21-13)8-11-17-14-15-9-5-10-16-14/h6-7H,3-5,8-11H2,1-2H3,(H2,15,16,17).
What are the key properties of N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide?
N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 344.51 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119115386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).